{"id":"W2034385668","doi":"10.1021/jm800505m","title":"X-ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(Adamantan-1-yl)-2-(1<i>H</i>-imidazol-1-yl)ethanone: A Common Binding Mode for Imidazole-Based Heme Oxygenase-1 Inhibitors","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Heme Oxygenase-1 and Carbon Monoxide","field":"Biochemistry, Genetics and Molecular Biology","cited_by":50,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Moiety; Heme; Stereochemistry; Imidazole; Ligand (biochemistry); Heme oxygenase; Binding site; Binding pocket; Crystal structure; Combinatorial chemistry; Crystallography; Enzyme; Receptor; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001621045,0.000366899,0.0006066976,0.00008428795,0.0003083428,0.0005044665,0.0007314922,0.0005827345,0.001109995],"category_scores_gemma":[0.0002140506,0.0002336118,0.0001686232,0.0001835168,0.00024011,0.0002442216,0.0001279879,0.001284662,0.0002275001],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007713715,"about_ca_system_score_gemma":0.0005764071,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002539864,"about_ca_topic_score_gemma":0.003399238,"domain_scores_codex":[0.9998735,0.00002447236,0.000006108825,0.00002587758,0.0000459055,0.00002418768],"domain_scores_gemma":[0.9999197,0.00002222686,0.00002117372,0.00000359399,0.00001442453,0.00001890778],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001825974,0.0007727102,0.005062314,0.0005153381,0.0001408113,0.001159288,0.0003534319,0.01227396,0.959439,0.001977806,0.004706158,0.01177324],"study_design_scores_gemma":[0.00105993,0.00133575,0.03444346,0.00008635881,0.0001639213,0.001812129,0.000487329,0.07248461,0.8554096,0.0007731655,0.03184075,0.0001029424],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903281,0.004225224,0.001727475,0.0005948778,0.00006171611,0.00004096916,0.0007139901,0.0001045548,0.002202938],"genre_scores_gemma":[0.981666,0.003207193,0.007459315,0.0002539496,0.00003021214,0.00005200647,0.003896141,0.00003841407,0.003396904],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002539864,"threshold_uncertainty_score":0.005596757,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0160945601578035,"score_gpt":0.2664886631488573,"score_spread":0.2503941029910538,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}